SCHEMBL9869101

SCHEMBL9869101

CCCCOc1n[c]ns1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.37
CYP2D6 P10635 4/20 0.37
CYP3A4 P08684 3/20 0.37
LTA4H P09960 3/20 0.32
CYP2C9 P11712 4/20 0.32
CYP2C19 P33261 4/20 0.32
RAB9A P51151 4/20 0.32
CYP19A1 P11511 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
TLR8 Q9NR97 1/20 0.32
NR5A1 Q13285 1/20 0.32
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
NPC1 O15118 3/20 0.31
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9870337 0.88
SCHEMBL919712 0.67 RAB9A (0.36) CYP1A2CYP2D6CYP3A4LTA4HCYP2C9
SCHEMBL11607863 0.64 LTA4H (0.38) CYP1A2CYP2D6CYP3A4LTA4HCYP2C9
SCHEMBL4911969 0.64 L3MBTL1 (0.49) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL4911958 0.63 CYP3A4 (0.39) CYP1A2CYP2D6CYP3A4LTA4HCYP2C9
SCHEMBL4921141 0.61 CYP1A2 (0.37) CYP1A2CYP2D6CYP3A4LTA4HCYP2C9
SCHEMBL4924803 0.61 CYP2D6 (0.34) CYP1A2CYP2D6CYP3A4LTA4HCYP2C9
SCHEMBL11555746 0.61 RAB9A (0.57) CYP1A2CYP2C9CYP2C19RAB9ALMNA
SCHEMBL10692851 0.61 LTA4H (0.46) CYP1A2CYP2D6CYP3A4LTA4HCYP2C9
SCHEMBL30605677 0.61 LTA4H (0.46) CYP1A2CYP2D6CYP3A4LTA4HCYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5077401-A Herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1991-12-31 US disclosed
US-4902335-A Benzo-fused cyclic compounds NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1990-02-20 US disclosed